N-(1-cyclopropyl-4-methylpyrrolidin-3-yl)-1-(oxan-4-yl)methanesulfonamide

C14H26N2O3S — CID 127458683

IUPACN-(1-cyclopropyl-4-methylpyrrolidin-3-yl)-1-(oxan-4-yl)methanesulfonamide
SMILESCC1CN(C2CC2)CC1NS(=O)(=O)CC1CCOCC1
InChIInChI=1S/C14H26N2O3S/c1-11-8-16(13-2-3-13)9-14(11)15-20(17,18)10-12-4-6-19-7-5-12/h11-15H,2-10H2,1H3
InChIKeyNGKDVTQWDHFLCU-UHFFFAOYSA-N
MW302.44 g/mol
LogP0.82
Rot. Bonds5

About N-(1-cyclopropyl-4-methylpyrrolidin-3-yl)-1-(oxan-4-yl)methanesulfonamide

N-(1-cyclopropyl-4-methylpyrrolidin-3-yl)-1-(oxan-4-yl)methanesulfonamide (PubChem CID 127458683) has the molecular formula C14H26N2O3S and a molecular weight of 302.44 g/mol. Its IUPAC name is N-(1-cyclopropyl-4-methylpyrrolidin-3-yl)-1-(oxan-4-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(1-cyclopropyl-4-methylpyrrolidin-3-yl)-1-(oxan-4-yl)methanesulfonamide
PubChem CID127458683
Molecular FormulaC14H26N2O3S
Molecular Weight302.44 g/mol
Exact Mass302.17
IUPAC NameN-(1-cyclopropyl-4-methylpyrrolidin-3-yl)-1-(oxan-4-yl)methanesulfonamide
SMILESCC1CN(C2CC2)CC1NS(=O)(=O)CC1CCOCC1
InChIInChI=1S/C14H26N2O3S/c1-11-8-16(13-2-3-13)9-14(11)15-20(17,18)10-12-4-6-19-7-5-12/h11-15H,2-10H2,1H3
InChIKeyNGKDVTQWDHFLCU-UHFFFAOYSA-N
XLogP0.82
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-{(3S,4R)-4-[(dimethylamino)methyl]-1-tetrahydro-2H-pyran-4-yltetrahydro-1H-pyrrol-3-yl}-1-ethanesulfonamide
CID 91923054
N~1~-{(3S,4R)-4-[(Dimethylamino)methyl]-1-tetrahydro-2H-pyran-4-yltetrahydro-1H-pyrrol-3-YL}-1-butanesulfonamide
CID 91923058
N-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)oxolane-3-sulfonamide
CID 71871888
N-(1,4-dimethylpyrrolidin-3-yl)-2-methoxyethanesulfonamide
CID 72121817
N-propyl-N-pyrrolidin-3-yloxane-4-sulfonamide
CID 55139077
N-methyl-1-[1-(oxan-4-ylsulfonyl)pyrrolidin-3-yl]methanamine
CID 55167517
N-(oxan-4-ylmethyl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 55225881
N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-methoxyethanesulfonamide
CID 61609240
N-pyrrolidin-3-yloxane-4-sulfonamide
CID 62049739
N-methyl-N-pyrrolidin-3-yloxane-4-sulfonamide
CID 62049935
N-(3-azabicyclo[3.1.0]hexan-6-yl)oxane-4-sulfonamide
CID 62049954
N-ethyl-N-pyrrolidin-3-yloxane-4-sulfonamide
CID 62050114

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropyl-4-methylpyrrolidin-3-yl)-1-(oxan-4-yl)methanesulfonamide?
The IUPAC name of N-(1-cyclopropyl-4-methylpyrrolidin-3-yl)-1-(oxan-4-yl)methanesulfonamide (CID 127458683) is N-(1-cyclopropyl-4-methylpyrrolidin-3-yl)-1-(oxan-4-yl)methanesulfonamide.
What is the SMILES notation for N-(1-cyclopropyl-4-methylpyrrolidin-3-yl)-1-(oxan-4-yl)methanesulfonamide?
The canonical SMILES for N-(1-cyclopropyl-4-methylpyrrolidin-3-yl)-1-(oxan-4-yl)methanesulfonamide is CC1CN(C2CC2)CC1NS(=O)(=O)CC1CCOCC1.
What is the InChIKey of N-(1-cyclopropyl-4-methylpyrrolidin-3-yl)-1-(oxan-4-yl)methanesulfonamide?
The InChIKey is NGKDVTQWDHFLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3S/c1-11-8-16(13-2-3-13)9-14(11)15-20(17,18)10-12-4-6-19-7-5-12/h11-15H,2-10H2,1H3.
What are the key properties of N-(1-cyclopropyl-4-methylpyrrolidin-3-yl)-1-(oxan-4-yl)methanesulfonamide?
N-(1-cyclopropyl-4-methylpyrrolidin-3-yl)-1-(oxan-4-yl)methanesulfonamide has a molecular weight of 302.44 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropyl-4-methylpyrrolidin-3-yl)-1-(oxan-4-yl)methanesulfonamide is sourced from PubChem (CID 127458683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).